#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kvt s PRO 2 N 0.00 4.38 0.42 0.03 0.04 -1.26 -4.93 135.00 133.69 2kvt s PRO 2 Ca 0.00 1.97 0.23 0.00 0.04 0.00 0.00 61.00 63.24 2kvt s PRO 2 Cb 0.00 -3.26 0.60 0.00 0.04 0.00 0.00 34.50 31.87 2kvt s PRO 2 CO 0.00 -0.32 1.69 1.79 0.04 0.00 0.00 177.00 180.20 2kvt h THR 3 N 4.17 0.33 -4.31 1.26 1.35 -2.12 -3.49 112.91 110.09 2kvt h THR 3 Ca -0.43 -1.22 0.00 0.00 -0.55 0.00 0.00 66.41 64.21 2kvt h THR 3 Cb 1.21 1.96 -0.02 0.00 -1.73 0.00 0.00 68.15 69.57 2kvt h THR 3 CO 0.82 0.16 -0.69 0.29 -0.25 0.00 0.00 175.52 175.85 2kvt n LYS 4 N -3.19 -2.32 -2.43 4.72 5.02 -1.26 -5.00 118.16 113.68 2kvt n LYS 4 Ca 0.02 2.02 -0.35 0.00 -2.02 0.00 0.00 58.31 57.97 2kvt n LYS 4 Cb 0.51 -3.70 -0.02 0.00 -0.02 0.00 0.00 35.03 31.80 2kvt n LYS 4 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 2kvt s PRO 5 N -0.97 3.76 -1.12 1.97 0.02 -1.26 -4.93 135.00 132.47 2kvt s PRO 5 Ca -0.03 1.51 -0.08 0.00 0.02 0.00 0.00 61.00 62.42 2kvt s PRO 5 Cb 0.00 -2.21 -0.06 0.00 0.02 0.00 0.00 34.50 32.25 2kvt s PRO 5 CO 0.49 -0.49 2.34 -0.35 -0.33 0.00 0.00 177.00 178.66 2kvt n PRO 6 N -0.79 2.52 -2.43 5.54 -0.04 -1.26 -4.62 135.00 133.92 2kvt n PRO 6 Ca 0.09 -1.72 -0.04 0.00 -0.04 0.00 0.00 63.50 61.79 2kvt n PRO 6 Cb 0.51 -2.60 -0.03 0.00 -0.04 0.00 0.00 33.50 31.34 2kvt n PRO 6 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 2kvt n TYR 7 N 4.29 -3.67 -2.23 0.54 9.36 -1.26 -4.91 117.16 119.28 2kvt n TYR 7 Ca 0.54 2.02 -0.43 0.00 3.32 0.00 0.00 57.90 63.36 2kvt n TYR 7 Cb 0.18 -3.55 -0.02 0.00 -0.63 0.00 0.00 39.34 35.31 2kvt n TYR 7 CO 0.00 0.00 0.00 -2.14 0.22 0.00 0.00 176.86 174.94 2kvt s PRO 8 N -0.88 3.53 0.31 2.98 0.02 -1.26 -4.99 135.00 134.70 2kvt s PRO 8 Ca -0.19 1.14 -0.29 0.00 0.02 0.00 0.00 61.00 61.69 2kvt s PRO 8 Cb 0.01 -4.07 -0.10 0.00 0.02 0.00 0.00 34.50 30.35 2kvt s PRO 8 CO 0.66 -1.62 1.42 1.03 -0.33 0.00 0.00 177.00 178.17 2kvt s ARG 9 N 5.11 4.25 0.06 5.54 3.00 -1.26 -5.03 118.95 130.62 2kvt s ARG 9 Ca 0.67 2.36 0.04 0.00 0.00 0.00 0.00 55.73 58.80 2kvt s ARG 9 Cb -0.17 -3.06 -0.03 0.00 0.00 0.00 0.00 34.95 31.69 2kvt s ARG 9 CO 0.32 -0.39 -0.11 -2.00 0.00 0.00 0.00 175.30 173.13 2kvt s GLU 10 N -1.19 0.68 0.42 3.54 2.12 -1.26 -4.65 118.70 118.36 2kvt s GLU 10 Ca 0.55 -0.88 0.03 0.00 0.36 0.00 0.00 54.97 55.04 2kvt s GLU 10 Cb -0.43 -0.53 -0.04 0.00 0.26 0.00 0.00 34.13 33.39 2kvt s GLU 10 CO 0.51 0.11 0.06 0.00 -0.54 0.00 0.00 175.26 175.39 2kvt s ALA 11 N -1.44 3.21 0.02 6.30 0.00 -1.26 -4.62 121.76 123.97 2kvt s ALA 11 Ca -0.05 -1.33 -0.12 0.00 0.00 0.00 0.00 51.96 50.46 2kvt s ALA 11 Cb -0.09 0.42 0.01 0.00 0.00 0.00 0.00 23.12 23.46 2kvt s ALA 11 CO 0.01 -0.20 0.26 1.52 0.00 0.00 0.00 175.76 177.35 2kvt s TYR 12 N -3.05 -0.07 -0.15 0.00 -0.85 0.10 -5.01 117.35 108.33 2kvt s TYR 12 Ca 0.23 -0.03 -0.07 0.00 -0.52 0.00 0.00 57.07 56.68 2kvt s TYR 12 Cb 0.05 0.05 -0.04 0.00 0.38 0.00 0.00 41.96 42.39 2kvt s TYR 12 CO 0.12 -0.43 0.10 0.42 -1.52 0.00 0.00 175.55 174.24 2kvt s ILE 13 N -2.12 5.18 -0.03 -3.49 1.01 -1.26 -0.93 121.20 119.56 2kvt s ILE 13 Ca -0.08 0.10 0.07 0.00 0.00 0.00 0.00 60.65 60.73 2kvt s ILE 13 Cb -0.03 -3.29 -0.02 0.00 0.01 0.00 0.00 42.46 39.13 2kvt s ILE 13 CO -0.01 0.54 -0.24 -0.69 0.00 0.00 0.00 174.94 174.54 2kvt s VAL 14 N -0.39 2.17 -0.31 2.92 1.01 0.30 -4.94 120.40 121.17 2kvt s VAL 14 Ca 0.11 -1.05 -0.11 0.00 0.00 0.00 0.00 61.98 60.92 2kvt s VAL 14 Cb -0.12 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 2kvt s VAL 14 CO 0.01 0.58 0.19 0.42 0.00 0.00 0.00 175.10 176.31 2kvt s THR 15 N -0.50 5.10 0.39 3.92 -4.23 -1.26 -0.24 115.64 118.81 2kvt s THR 15 Ca 0.07 -0.12 0.08 0.00 -1.18 0.00 0.00 61.69 60.53 2kvt s THR 15 Cb -0.11 -3.53 -0.08 0.00 1.34 0.00 0.00 72.50 70.12 2kvt s THR 15 CO 0.00 0.12 -0.02 0.27 -0.54 0.00 0.00 174.62 174.45 2kvt s ILE 16 N 1.71 2.06 -0.14 2.99 -4.36 -0.27 -4.96 121.20 118.23 2kvt s ILE 16 Ca 0.06 -2.06 0.00 0.00 -0.26 0.00 0.00 60.65 58.39 2kvt s ILE 16 Cb -0.17 -2.89 -0.00 0.00 1.25 0.00 0.00 42.46 40.65 2kvt s ILE 16 CO 0.09 -0.06 -0.15 -1.61 0.24 0.00 0.00 174.94 173.45 2kvt s GLU 17 N -3.68 3.24 0.25 0.37 2.02 -1.26 -1.07 118.70 118.57 2kvt s GLU 17 Ca 0.34 -0.75 0.04 0.00 0.02 0.00 0.00 54.97 54.62 2kvt s GLU 17 Cb 0.08 -2.60 -0.05 0.00 0.10 0.00 0.00 34.13 31.65 2kvt s GLU 17 CO 0.17 0.08 0.01 0.15 0.02 0.00 0.00 175.26 175.69 2kvt s LYS 18 N 0.67 1.42 0.00 1.61 1.02 -0.71 -4.91 119.74 118.84 2kvt s LYS 18 Ca -0.08 -1.73 0.00 0.00 0.02 0.00 0.00 55.97 54.18 2kvt s LYS 18 Cb -0.16 -0.68 0.00 0.00 -0.52 0.00 0.00 37.83 36.47 2kvt s LYS 18 CO 0.02 -0.12 0.00 0.41 -0.92 0.00 0.00 175.35 174.74 2kvt n GLY 19 N -0.48 1.07 3.79 -3.33 0.00 -1.26 -0.35 105.19 104.62 2kvt n GLY 19 Ca -0.04 -1.56 -0.36 0.00 0.00 0.00 0.00 46.02 44.06 2kvt n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kvt s LYS 20 N 0.00 4.08 0.20 1.61 -0.14 -0.99 -4.95 119.74 119.55 2kvt s LYS 20 Ca 0.00 1.47 -0.11 0.00 -1.36 0.00 0.00 55.97 55.97 2kvt s LYS 20 Cb 0.00 -2.43 0.24 0.00 -1.68 0.00 0.00 37.83 33.96 2kvt s LYS 20 CO 0.00 -0.21 1.72 -1.35 -0.76 0.00 0.00 175.35 174.75 2kvt h PRO 21 N 2.27 0.27 0.00 -1.68 0.11 -2.01 -2.97 132.00 127.99 2kvt h PRO 21 Ca -0.49 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.54 2kvt h PRO 21 Cb 1.22 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2kvt h PRO 21 CO 0.61 0.18 -0.46 0.78 -0.21 0.00 0.00 178.00 178.91 2kvt h GLY 22 N 0.28 0.00 -7.36 -0.55 0.00 -2.00 -3.40 103.07 90.04 2kvt h GLY 22 Ca 0.28 0.00 -0.71 0.00 0.00 0.00 0.00 47.33 46.90 2kvt h GLY 22 CO -0.35 0.00 2.10 -1.06 0.00 0.00 0.00 176.54 177.23 2kvt n GLN 23 N -4.58 3.24 -3.17 4.80 1.13 -1.21 -4.99 117.38 112.60 2kvt n GLN 23 Ca -0.15 -3.36 -0.31 0.00 -1.94 0.00 0.00 57.00 51.24 2kvt n GLN 23 Cb 0.44 -3.27 -0.05 0.00 0.11 0.00 0.00 30.24 27.47 2kvt n GLN 23 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2kvt s THR 24 N 2.87 4.84 -0.13 5.09 -4.23 -1.13 -2.33 115.64 120.62 2kvt s THR 24 Ca 0.48 0.57 0.00 0.00 -1.18 0.00 0.00 61.69 61.57 2kvt s THR 24 Cb 0.04 -3.67 -0.01 0.00 1.34 0.00 0.00 72.50 70.21 2kvt s THR 24 CO 0.02 -0.27 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.00 2kvt s VAL 25 N -2.06 2.92 -0.28 2.29 1.01 0.52 -4.91 120.40 119.89 2kvt s VAL 25 Ca 0.50 -0.70 -0.29 0.00 0.00 0.00 0.00 61.98 61.48 2kvt s VAL 25 Cb -0.11 -2.22 -0.00 0.00 0.00 0.00 0.00 36.38 34.05 2kvt s VAL 25 CO 0.24 0.53 1.32 -0.89 0.00 0.00 0.00 175.10 176.30 2kvt s THR 26 N 0.41 4.13 -0.15 3.92 2.01 -1.26 -1.74 115.64 122.96 2kvt s THR 26 Ca -0.11 1.28 -0.05 0.00 0.31 0.00 0.00 61.69 63.13 2kvt s THR 26 Cb -0.16 -4.11 -0.03 0.00 0.01 0.00 0.00 72.50 68.21 2kvt s THR 26 CO 0.05 -0.42 0.01 0.26 -0.69 0.00 0.00 174.62 173.83 2kvt s TRP 27 N 4.33 3.14 -0.35 4.92 0.52 -0.24 -4.74 118.94 126.52 2kvt s TRP 27 Ca 0.57 -0.05 -0.15 0.00 0.02 0.00 0.00 56.10 56.49 2kvt s TRP 27 Cb -0.18 -1.96 -0.01 0.00 -1.15 0.00 0.00 33.47 30.17 2kvt s TRP 27 CO 0.22 0.15 0.37 0.71 0.02 0.00 0.00 176.95 178.43 2kvt s TYR 28 N 0.07 3.21 -0.25 -1.98 1.51 0.20 -1.11 117.35 118.99 2kvt s TYR 28 Ca 0.02 -0.08 -0.13 0.00 -1.01 0.00 0.00 57.07 55.87 2kvt s TYR 28 Cb -0.13 -2.70 -0.04 0.00 -0.11 0.00 0.00 41.96 38.98 2kvt s TYR 28 CO 0.02 -0.47 0.28 -0.65 -1.11 0.00 0.00 175.55 173.62 2kvt s GLN 29 N 2.02 4.05 -0.47 -0.62 -0.21 0.67 -0.87 119.66 124.22 2kvt s GLN 29 Ca 0.12 -0.08 -0.27 0.00 0.02 0.00 0.00 55.36 55.14 2kvt s GLN 29 Cb -0.17 -3.60 0.03 0.00 1.00 0.00 0.00 33.01 30.27 2kvt s GLN 29 CO 0.12 -0.12 1.01 -1.17 -2.12 0.00 0.00 175.29 173.00 2kvt s LEU 30 N 1.60 3.87 0.24 2.90 2.96 0.32 -0.54 118.68 130.03 2kvt s LEU 30 Ca 0.12 0.23 0.11 0.00 -0.22 0.00 0.00 54.13 54.37 2kvt s LEU 30 Cb -0.15 -3.31 -0.05 0.00 0.50 0.00 0.00 46.19 43.18 2kvt s LEU 30 CO 0.08 -1.14 -0.20 -0.13 -1.32 0.00 0.00 176.35 173.65 2kvt s ARG 31 N 4.03 1.57 -0.03 1.98 0.52 -0.11 -0.36 118.95 126.55 2kvt s ARG 31 Ca 0.41 -1.67 -0.09 0.00 -0.52 0.00 0.00 55.73 53.86 2kvt s ARG 31 Cb -0.09 -1.65 0.01 0.00 0.52 0.00 0.00 34.95 33.74 2kvt s ARG 31 CO 0.28 0.31 0.19 0.00 0.02 0.00 0.00 175.30 176.11 2kvt s ALA 32 N -2.40 -0.48 0.51 2.13 0.00 -1.10 -0.72 121.76 119.70 2kvt s ALA 32 Ca 0.26 0.20 0.35 0.00 0.00 0.00 0.00 51.96 52.77 2kvt s ALA 32 Cb -0.05 -0.06 1.88 0.00 0.00 0.00 0.00 23.12 24.90 2kvt s ALA 32 CO 0.12 -0.18 2.21 -0.44 0.00 0.00 0.00 175.76 177.48 2kvt h ASP 33 N 4.73 0.00 -4.34 0.00 5.19 -1.80 -3.34 116.42 116.86 2kvt h ASP 33 Ca -0.29 0.00 -0.56 0.00 -0.62 0.00 0.00 57.03 55.56 2kvt h ASP 33 Cb 1.19 0.00 -0.28 0.00 0.18 0.00 0.00 39.33 40.42 2kvt h ASP 33 CO 0.39 0.03 -0.84 -1.00 -3.12 0.00 0.00 179.24 174.71 2kvt s HIS 34 N -4.21 1.66 0.07 4.55 3.76 -1.26 -2.13 115.29 117.73 2kvt s HIS 34 Ca -0.04 -0.33 -0.33 0.00 -0.15 0.00 0.00 55.06 54.22 2kvt s HIS 34 Cb 0.13 -1.05 -0.19 0.00 1.11 0.00 0.00 32.58 32.58 2kvt s HIS 34 CO 0.51 0.00 1.63 -1.35 -0.85 0.00 0.00 174.74 174.68 2kvt h PRO 35 N 5.46 -0.87 -6.32 8.40 0.11 -1.95 -3.49 132.00 133.35 2kvt h PRO 35 Ca -0.39 0.06 -0.66 0.00 0.11 0.00 0.00 66.00 65.12 2kvt h PRO 35 Cb 1.15 0.20 -0.14 0.00 0.11 0.00 0.00 31.00 32.32 2kvt h PRO 35 CO 0.47 -0.58 -0.68 0.15 -0.21 0.00 0.00 178.00 177.15 2kvt s LYS 36 N -6.06 2.54 0.51 1.05 1.02 -1.24 -5.02 119.74 112.54 2kvt s LYS 36 Ca -0.18 -0.79 0.30 0.00 0.02 0.00 0.00 55.97 55.32 2kvt s LYS 36 Cb 0.03 -2.53 1.41 0.00 -0.52 0.00 0.00 37.83 36.23 2kvt s LYS 36 CO 0.62 0.57 1.86 -1.35 -0.92 0.00 0.00 175.35 176.13 2kvt h PRO 37 N 3.92 0.08 -0.64 -1.68 0.11 -1.61 0.16 132.00 132.34 2kvt h PRO 37 Ca -0.48 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 2kvt h PRO 37 Cb 1.17 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 2kvt h PRO 37 CO 0.57 0.05 0.05 -0.40 -0.21 0.00 0.00 178.00 178.06 2kvt n ASP 38 N -4.31 5.33 -4.59 -2.05 5.75 -1.26 -4.55 116.55 110.87 2kvt n ASP 38 Ca 0.20 -2.94 -0.42 0.00 -0.01 0.00 0.00 54.79 51.63 2kvt n ASP 38 Cb 0.96 -0.69 -0.03 0.00 -1.03 0.00 0.00 41.12 40.34 2kvt n ASP 38 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2kvt s SER 39 N -0.77 6.00 -0.44 -1.12 0.15 0.56 -4.97 113.70 113.11 2kvt s SER 39 Ca 0.52 0.78 -0.20 0.00 0.70 0.00 0.00 55.95 57.74 2kvt s SER 39 Cb 0.40 -2.54 0.02 0.00 -1.71 0.00 0.00 66.02 62.20 2kvt s SER 39 CO 0.15 -1.72 0.62 -0.22 1.20 0.00 0.00 173.24 173.27 2kvt s LEU 40 N 6.54 4.56 -0.06 3.45 2.96 -1.26 -2.69 118.68 132.19 2kvt s LEU 40 Ca 0.66 -0.40 -0.20 0.00 -0.22 0.00 0.00 54.13 53.96 2kvt s LEU 40 Cb -0.15 -2.68 -0.15 0.00 0.50 0.00 0.00 46.19 43.71 2kvt s LEU 40 CO 0.30 -0.76 0.81 0.40 -1.32 0.00 0.00 176.35 175.77 2kvt h ILE 41 N 5.86 0.83 -1.79 6.68 1.08 -1.08 -3.49 117.51 125.61 2kvt h ILE 41 Ca -0.26 -1.18 0.01 0.00 -0.39 0.00 0.00 64.86 63.04 2kvt h ILE 41 Cb 1.10 1.43 -0.21 0.00 -3.07 0.00 0.00 36.82 36.06 2kvt h ILE 41 CO 0.88 0.23 0.35 -0.55 -0.69 0.00 0.00 178.15 178.37 2kvt s SER 42 N -5.51 -0.53 -0.08 1.72 0.15 -1.21 -5.01 113.70 103.23 2kvt s SER 42 Ca -0.12 0.60 -0.01 0.00 0.70 0.00 0.00 55.95 57.13 2kvt s SER 42 Cb 0.00 0.47 -0.03 0.00 -1.71 0.00 0.00 66.02 64.75 2kvt s SER 42 CO 0.45 -0.47 -0.04 -1.61 1.20 0.00 0.00 173.24 172.78 2kvt s GLU 43 N -1.07 2.90 -0.00 5.44 2.02 -1.26 -0.52 118.70 126.20 2kvt s GLU 43 Ca -0.06 -0.49 0.00 0.00 0.02 0.00 0.00 54.97 54.44 2kvt s GLU 43 Cb -0.00 -2.69 -0.00 0.00 0.10 0.00 0.00 34.13 31.53 2kvt s GLU 43 CO 0.06 0.65 -0.02 -1.01 0.02 0.00 0.00 175.26 174.96 2kvt s HIS 44 N -0.76 0.15 0.12 1.61 3.76 -0.05 -4.97 115.29 115.15 2kvt s HIS 44 Ca 0.12 -0.04 0.23 0.00 -0.15 0.00 0.00 55.06 55.22 2kvt s HIS 44 Cb -0.11 -0.10 0.87 0.00 1.11 0.00 0.00 32.58 34.34 2kvt s HIS 44 CO 0.02 -0.01 1.80 -1.00 -0.85 0.00 0.00 174.74 174.70 2kvt h PRO 45 N 6.06 0.00 -6.38 8.40 0.13 -1.86 0.60 132.00 138.95 2kvt h PRO 45 Ca -0.25 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.19 2kvt h PRO 45 Cb 1.20 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.14 2kvt h PRO 45 CO 0.50 0.24 -0.75 0.95 -0.23 0.00 0.00 178.00 178.72 2kvt s THR 46 N -3.62 3.28 0.39 1.56 -4.23 -1.26 -4.75 115.64 107.01 2kvt s THR 46 Ca 0.01 -0.89 0.06 0.00 -1.18 0.00 0.00 61.69 59.69 2kvt s THR 46 Cb 0.10 -2.39 0.27 0.00 1.34 0.00 0.00 72.50 71.82 2kvt s THR 46 CO 0.64 0.41 2.05 0.00 -0.54 0.00 0.00 174.62 177.18 2kvt h ALA 47 N 4.68 1.67 -0.26 3.99 0.00 -1.96 -2.85 119.26 124.53 2kvt h ALA 47 Ca -0.48 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.44 2kvt h ALA 47 Cb 1.16 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 2kvt h ALA 47 CO 0.51 0.31 0.03 0.37 0.00 0.00 0.00 179.25 180.47 2kvt h GLN 48 N 0.64 0.11 -0.77 0.00 -0.00 -1.98 0.76 115.11 113.87 2kvt h GLN 48 Ca 0.18 -0.01 0.03 0.00 -0.00 0.00 0.00 58.65 58.85 2kvt h GLN 48 Cb -0.07 -0.03 -0.05 0.00 0.00 0.00 0.00 27.48 27.34 2kvt h GLN 48 CO -0.04 0.08 0.49 0.93 0.00 0.00 0.00 178.83 180.29 2kvt h GLU 49 N 0.12 0.93 -0.68 1.69 5.08 -1.92 -0.96 114.58 118.84 2kvt h GLU 49 Ca 0.12 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 2kvt h GLU 49 Cb 0.14 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 2kvt h GLU 49 CO -0.18 0.62 0.24 0.00 -1.00 0.00 0.00 179.01 178.68 2kvt h ALA 50 N 1.33 0.89 -0.05 3.43 0.00 -1.20 0.59 119.26 124.24 2kvt h ALA 50 Ca 0.31 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2kvt h ALA 50 Cb 0.01 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 2kvt h ALA 50 CO -0.11 0.54 0.01 0.52 0.00 0.00 0.00 179.25 180.21 2kvt h MET 51 N 0.98 0.08 -0.89 0.00 2.86 -0.56 0.05 114.93 117.44 2kvt h MET 51 Ca 0.22 -0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.89 2kvt h MET 51 Cb 0.26 -0.01 -0.06 0.00 0.06 0.00 0.00 31.60 31.85 2kvt h MET 51 CO -0.01 0.31 0.57 -0.44 1.06 0.00 0.00 176.91 178.39 2kvt h ASP 52 N -0.16 0.91 -0.46 1.22 5.19 -1.08 -0.52 116.42 121.52 2kvt h ASP 52 Ca 0.01 0.01 -0.05 0.00 -0.62 0.00 0.00 57.03 56.38 2kvt h ASP 52 Cb 0.27 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 39.57 2kvt h ASP 52 CO 0.00 0.60 0.10 0.00 -3.12 0.00 0.00 179.24 176.82 2kvt h ALA 53 N 1.40 0.61 0.24 3.45 0.00 -0.76 -1.38 119.26 122.83 2kvt h ALA 53 Ca 0.38 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2kvt h ALA 53 Cb 0.12 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2kvt h ALA 53 CO -0.16 0.31 -0.12 -0.22 0.00 0.00 0.00 179.25 179.07 2kvt h LYS 54 N 0.63 -0.31 -0.28 0.00 3.64 -0.45 0.13 116.57 119.92 2kvt h LYS 54 Ca 0.14 0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.49 2kvt h LYS 54 Cb 0.35 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 2kvt h LYS 54 CO 0.00 -0.19 -0.09 1.57 -2.27 0.00 0.00 179.45 178.48 2kvt h LYS 55 N -0.35 0.45 0.00 1.90 2.10 -1.12 -1.50 116.57 118.05 2kvt h LYS 55 Ca -0.03 -0.11 -0.12 0.00 -2.00 0.00 0.00 60.65 58.39 2kvt h LYS 55 Cb 0.27 -0.06 -0.02 0.00 -0.90 0.00 0.00 32.23 31.52 2kvt h LYS 55 CO 0.05 0.55 -0.56 -0.09 -2.00 0.00 0.00 179.45 177.40 2kvt h ARG 56 N 0.42 0.00 -0.16 0.07 2.43 -1.09 -0.27 114.38 115.79 2kvt h ARG 56 Ca 0.08 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.12 2kvt h ARG 56 Cb 0.42 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 2kvt h ARG 56 CO 0.02 0.56 -0.44 -0.92 -1.51 0.00 0.00 179.97 177.68 2kvt h TYR 57 N 0.00 0.74 -0.01 2.20 3.20 -0.30 -3.21 116.97 119.60 2kvt h TYR 57 Ca -0.01 -0.29 -0.20 0.00 3.14 0.00 0.00 58.73 61.37 2kvt h TYR 57 Cb 1.33 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.46 2kvt h TYR 57 CO 0.00 1.06 -0.87 0.93 -1.64 0.00 0.00 178.16 177.64 2kvt h GLU 58 N 0.22 0.26 -3.27 1.82 5.08 -1.29 -3.37 114.58 114.03 2kvt h GLU 58 Ca -0.01 -0.27 -0.69 0.00 -1.00 0.00 0.00 59.36 57.39 2kvt h GLU 58 Cb 1.06 0.08 -0.37 0.00 0.50 0.00 0.00 28.75 30.02 2kvt h GLU 58 CO 0.09 0.98 -0.18 -0.51 -1.00 0.00 0.00 179.01 178.39 2kvt s ASP 59 N -6.97 5.78 0.04 1.42 1.01 -0.12 -4.80 116.67 113.04 2kvt s ASP 59 Ca -0.04 -3.75 -0.29 0.00 0.71 0.00 0.00 52.55 49.18 2kvt s ASP 59 Cb 0.10 -1.86 -0.04 0.00 1.01 0.00 0.00 42.92 42.13 2kvt s ASP 59 CO 0.84 -0.16 0.93 -2.16 0.21 0.00 0.00 175.17 174.82 2kvt s PRO 60 N -1.38 4.59 -0.04 8.23 0.04 -1.21 -4.60 135.00 140.62 2kvt s PRO 60 Ca 0.27 1.35 0.12 0.00 0.04 0.00 0.00 61.00 62.78 2kvt s PRO 60 Cb -0.07 -3.42 0.42 0.00 0.04 0.00 0.00 34.50 31.47 2kvt s PRO 60 CO -0.13 0.08 1.31 -0.25 0.04 0.00 0.00 177.00 178.05 2kvt n ASP 61 N 3.41 2.80 -3.66 6.66 8.00 -1.26 -4.90 116.55 127.59 2kvt n ASP 61 Ca 0.03 -2.15 -0.10 0.00 0.71 0.00 0.00 54.79 53.28 2kvt n ASP 61 Cb 0.50 -0.38 -0.04 0.00 -0.02 0.00 0.00 41.12 41.17 2kvt n ASP 61 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2kvt s LYS 62 N -1.58 1.13 -1.40 -1.24 2.47 -1.26 -4.94 119.74 112.91 2kvt s LYS 62 Ca 0.31 -0.75 -0.00 0.00 -1.56 0.00 0.00 55.97 53.96 2kvt s LYS 62 Cb 0.18 0.48 0.00 0.00 -1.46 0.00 0.00 37.83 37.03 2kvt s LYS 62 CO 0.18 -0.45 0.06 0.39 0.16 0.00 0.00 175.35 175.68 2kvt n GLU 63 N -0.25 -1.63 -2.59 4.03 -0.58 -1.26 -4.92 120.64 113.45 2kvt n GLU 63 Ca -0.15 0.80 -0.42 0.00 -0.42 0.00 0.00 57.16 56.97 2kvt n GLU 63 Cb 0.64 -5.23 -0.02 0.00 -0.57 0.00 0.00 31.44 26.26 2kvt n GLU 63 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2kvt s LEU 64 N -4.86 3.73 -0.33 -4.62 1.43 -1.26 -4.96 118.68 107.82 2kvt s LEU 64 Ca 0.03 -1.94 -0.28 0.00 -1.03 0.00 0.00 54.13 50.91 2kvt s LEU 64 Cb -0.01 -2.57 -0.04 0.00 0.03 0.00 0.00 46.19 43.60 2kvt s LEU 64 CO 0.03 -1.33 2.06 -0.70 0.23 0.00 0.00 176.35 176.64 2kvt s GLU 65 N 4.50 3.03 0.49 1.70 2.12 -1.26 -4.97 118.70 124.31 2kvt s GLU 65 Ca 0.49 1.61 -0.15 0.00 0.36 0.00 0.00 54.97 57.28 2kvt s GLU 65 Cb 0.02 -4.34 -0.08 0.00 0.26 0.00 0.00 34.13 29.99 2kvt s GLU 65 CO -0.02 -2.22 0.93 -1.01 -0.54 0.00 0.00 175.26 172.40 2kvt s HIS 66 N 8.37 3.46 0.13 5.30 3.76 -1.26 -4.99 115.29 130.06 2kvt s HIS 66 Ca 0.90 1.36 -0.31 0.00 -0.15 0.00 0.00 55.06 56.86 2kvt s HIS 66 Cb -0.25 -2.70 -0.10 0.00 1.11 0.00 0.00 32.58 30.63 2kvt s HIS 66 CO 0.32 -0.30 1.80 -3.38 -0.85 0.00 0.00 174.74 172.33 2kvt s HIS 67 N -2.56 2.28 0.24 1.40 -3.43 -1.26 -4.97 115.29 106.99 2kvt s HIS 67 Ca 0.57 0.05 -0.30 0.00 -0.80 0.00 0.00 55.06 54.59 2kvt s HIS 67 Cb -0.10 -4.16 -0.09 0.00 -1.43 0.00 0.00 32.58 26.80 2kvt s HIS 67 CO 0.31 -4.72 1.07 -1.58 -2.00 0.00 0.00 174.74 167.82 2kvt s HIS 68 N 2.49 3.67 -0.34 0.38 5.04 -1.26 -4.93 115.29 120.34 2kvt s HIS 68 Ca 0.80 1.71 -0.41 0.00 -1.54 0.00 0.00 55.06 55.62 2kvt s HIS 68 Cb -0.46 -3.22 -0.16 0.00 0.04 0.00 0.00 32.58 28.78 2kvt s HIS 68 CO 0.35 -0.35 1.84 1.58 -2.34 0.00 0.00 174.74 175.82 2kvt n HIS 69 N 1.66 1.86 -1.67 3.88 -0.00 -1.26 -4.82 115.22 114.88 2kvt n HIS 69 Ca -0.00 0.60 -0.46 0.00 -0.00 0.00 0.00 57.72 57.85 2kvt n HIS 69 Cb 0.46 -2.43 -0.04 0.00 -0.00 0.00 0.00 29.99 27.98 2kvt n HIS 69 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kvt n HIS 70 N 6.14 2.26 0.64 1.57 -0.00 -1.26 -5.34 115.22 119.23 2kvt n HIS 70 Ca 0.32 0.25 0.05 0.00 0.46 0.00 0.00 57.72 58.80 2kvt n HIS 70 Cb 0.10 -2.55 0.30 0.00 -0.12 0.00 0.00 29.99 27.73 2kvt n HIS 70 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38